Basic information
- CAS
78205-48-8- Standard SMILES
COC(=O)C1CC(O)CN1C(=O)c1c2nc3c(C(=O)N4CC(O)CC4C(=O)OC)ccc(C)c3oc-2c(C)c(=O)c1N- InChIKey
DBNNLDJXFMOPNT-UHFFFAOYSA-N- Molecular formula
- C28H30N4O10
- Average molar mass
- 582.6 g/mol
- Monoisotopic mass
- 582.19619317
Names & identifiers
- Preferred name
- Methyl 1-[8-amino-9-(4-hydroxy-2-methoxycarbonylpyrrolidine-1-carbonyl)-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylate
- IUPAC
- methyl 1-[8-amino-9-(4-hydroxy-2-methoxycarbonylpyrrolidine-1-carbonyl)-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylate
Names & synonyms
78205-48-8NSC287412DTXSID10314680NSC-287412Methyl 1-{2-amino-9-[4-hydroxy-2-(methoxycarbonyl)pyrrolidine-1-carbonyl]-4,6-dimethyl-3-oxo-3H-phenoxazine-1-carbonyl}-4-hydroxypyrrolidine-2-carboxylate
Database identifiers
- CAS
78205-48-8- PubChem CID
- 323935
- DTXSID
DTXSID10314680
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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